#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1quw s THR 2 N 0.00 0.16 0.31 0.00 -4.23 -1.26 -4.84 115.64 105.78 1quw s THR 2 Ca 0.00 -1.28 0.03 0.00 -1.18 0.00 0.00 61.69 59.26 1quw s THR 2 Cb 0.00 -0.89 -0.02 0.00 1.34 0.00 0.00 72.50 72.93 1quw s THR 2 CO 0.00 -0.71 0.47 -0.32 -0.54 0.00 0.00 174.62 173.53 1quw s MET 3 N -2.66 3.36 -0.07 3.99 -2.45 -0.97 -5.00 119.30 115.50 1quw s MET 3 Ca -0.05 -0.63 -0.01 0.00 -1.25 0.00 0.00 55.69 53.75 1quw s MET 3 Cb -0.01 -2.77 0.03 0.00 1.25 0.00 0.00 34.83 33.33 1quw s MET 3 CO -0.05 0.20 -0.00 0.99 1.05 0.00 0.00 175.02 177.21 1quw s THR 4 N -2.19 0.40 0.50 10.11 2.01 -1.26 -1.49 115.64 123.72 1quw s THR 4 Ca 0.39 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.55 1quw s THR 4 Cb -0.09 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 71.89 1quw s THR 4 CO 0.33 0.26 0.39 -0.76 -0.69 0.00 0.00 174.62 174.14 1quw s LEU 5 N 1.85 2.93 0.13 4.42 1.02 -0.02 -4.89 118.68 124.12 1quw s LEU 5 Ca 0.03 -1.09 -0.21 0.00 0.02 0.00 0.00 54.13 52.89 1quw s LEU 5 Cb -0.12 -1.45 0.06 0.00 0.02 0.00 0.00 46.19 44.69 1quw s LEU 5 CO -0.05 -0.94 0.52 0.28 0.02 0.00 0.00 176.35 176.18 1quw s THR 6 N -2.68 0.03 0.27 5.49 -1.32 -1.26 -4.57 115.64 111.61 1quw s THR 6 Ca 0.39 -0.24 0.06 0.00 -1.21 0.00 0.00 61.69 60.70 1quw s THR 6 Cb -0.02 -1.06 0.33 0.00 -1.51 0.00 0.00 72.50 70.25 1quw s THR 6 CO 0.24 -0.13 1.29 -0.90 -2.21 0.00 0.00 174.62 172.91 1quw n ASP 7 N -0.21 0.01 -0.05 8.08 5.75 -1.26 0.19 116.55 129.07 1quw n ASP 7 Ca -0.17 1.39 -0.17 0.00 -0.01 0.00 0.00 54.79 55.84 1quw n ASP 7 Cb 0.64 -0.55 -0.13 0.00 -1.03 0.00 0.00 41.12 40.04 1quw n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1quw h ALA 8 N 1.65 0.03 0.00 2.12 0.00 -2.02 -3.31 119.26 117.73 1quw h ALA 8 Ca 0.56 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1quw h ALA 8 Cb 1.26 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1quw h ALA 8 CO -0.74 0.21 -0.55 -0.97 0.00 0.00 0.00 179.25 177.21 1quw h ASN 9 N -0.86 0.00 -0.76 0.00 -1.24 -1.56 -3.08 115.58 108.08 1quw h ASN 9 Ca -0.09 0.00 0.17 0.00 0.71 0.00 0.00 56.30 57.09 1quw h ASN 9 Cb 1.19 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 40.13 1quw h ASN 9 CO -0.00 0.55 0.20 0.15 -1.29 0.00 0.00 177.43 177.04 1quw h PHE 10 N 0.00 0.31 0.18 0.67 3.57 0.20 0.88 116.94 122.76 1quw h PHE 10 Ca -0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1quw h PHE 10 Cb 0.97 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1quw h PHE 10 CO 0.00 -0.09 -0.09 1.96 -2.23 0.00 0.00 178.31 177.86 1quw h GLN 11 N 0.28 -0.24 -0.26 1.11 4.20 -1.62 -2.12 115.11 116.46 1quw h GLN 11 Ca 0.44 0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.18 1quw h GLN 11 Cb 0.77 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1quw h GLN 11 CO -0.53 0.03 0.18 0.37 -0.67 0.00 0.00 178.83 178.21 1quw h GLN 12 N -0.49 0.29 -0.01 1.46 4.15 -1.35 -2.63 115.11 116.53 1quw h GLN 12 Ca -0.03 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1quw h GLN 12 Cb 0.38 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1quw h GLN 12 CO 0.04 0.19 -0.01 0.00 -1.93 0.00 0.00 178.83 177.12 1quw h ALA 13 N 1.84 0.01 0.00 3.38 0.00 0.97 -3.26 119.26 122.20 1quw h ALA 13 Ca 0.10 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1quw h ALA 13 Cb 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1quw h ALA 13 CO -0.02 -0.19 -0.43 -0.84 0.00 0.00 0.00 179.25 177.77 1quw h ILE 14 N -0.56 0.91 0.00 0.00 3.07 -1.34 -2.72 117.51 116.88 1quw h ILE 14 Ca 0.00 -1.76 0.00 0.00 1.55 0.00 0.00 64.86 64.65 1quw h ILE 14 Cb 0.60 2.08 0.00 0.00 -0.27 0.00 0.00 36.82 39.23 1quw h ILE 14 CO 0.00 0.42 0.00 0.00 -1.05 0.00 0.00 178.15 177.52 1quw n GLN 15 N -3.45 0.12 0.00 0.16 1.13 -1.00 -3.05 117.38 111.30 1quw n GLN 15 Ca 0.00 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1quw n GLN 15 Cb 0.58 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.43 1quw n GLN 15 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1quw n GLY 16 N 0.29 -2.55 2.03 1.08 0.00 -1.03 -4.87 105.19 100.14 1quw n GLY 16 Ca 0.06 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1quw n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1quw n ASP 17 N -0.47 -0.63 -3.16 1.61 8.00 -1.26 -5.11 116.55 115.53 1quw n ASP 17 Ca 0.00 0.23 -0.18 0.00 0.71 0.00 0.00 54.79 55.54 1quw n ASP 17 Cb 0.00 0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 41.80 1quw n ASP 17 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1quw n LYS 18 N -2.83 0.53 -1.64 -1.24 2.85 -1.26 -4.85 118.16 109.71 1quw n LYS 18 Ca 0.00 -2.71 -0.46 0.00 -1.05 0.00 0.00 58.31 54.09 1quw n LYS 18 Cb 0.00 1.74 -0.03 0.00 -0.65 0.00 0.00 35.03 36.09 1quw n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1quw n PRO 19 N -0.65 1.73 -3.89 -1.58 -0.02 -1.26 -4.78 135.00 124.55 1quw n PRO 19 Ca -0.01 0.61 -0.24 0.00 -2.02 0.00 0.00 63.50 61.85 1quw n PRO 19 Cb 0.48 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.60 1quw n PRO 19 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1quw s VAL 20 N -0.29 0.63 0.08 -1.45 1.01 0.93 -4.27 120.40 117.03 1quw s VAL 20 Ca 0.67 -0.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.31 1quw s VAL 20 Cb -0.70 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1quw s VAL 20 CO 0.53 0.29 0.87 -0.22 0.00 0.00 0.00 175.10 176.57 1quw s LEU 21 N 1.70 4.47 -0.16 3.92 2.96 0.28 -0.75 118.68 131.10 1quw s LEU 21 Ca 0.02 1.63 -0.03 0.00 -0.22 0.00 0.00 54.13 55.53 1quw s LEU 21 Cb -0.13 -3.42 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 1quw s LEU 21 CO -0.05 -0.04 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.19 1quw s VAL 22 N 0.03 3.63 -0.37 1.68 1.01 0.07 -0.36 120.40 126.08 1quw s VAL 22 Ca 0.43 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 1quw s VAL 22 Cb -0.22 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.59 1quw s VAL 22 CO 0.27 0.49 0.23 -1.81 0.00 0.00 0.00 175.10 174.28 1quw s ASP 23 N 0.51 5.86 -0.32 3.32 1.11 -0.40 -1.46 116.67 125.29 1quw s ASP 23 Ca -0.05 -0.81 -0.24 0.00 0.18 0.00 0.00 52.55 51.63 1quw s ASP 23 Cb -0.15 -2.08 0.00 0.00 1.07 0.00 0.00 42.92 41.77 1quw s ASP 23 CO 0.03 -0.35 0.82 -0.36 1.18 0.00 0.00 175.17 176.49 1quw s PHE 24 N 1.62 3.18 0.30 4.23 0.40 0.80 -3.02 117.98 125.49 1quw s PHE 24 Ca 0.04 0.81 -0.03 0.00 -0.60 0.00 0.00 56.93 57.15 1quw s PHE 24 Cb -0.19 -3.30 -0.01 0.00 0.51 0.00 0.00 43.02 40.04 1quw s PHE 24 CO 0.08 -0.61 0.39 1.67 0.70 0.00 0.00 175.22 177.45 1quw s TRP 25 N 3.05 1.05 0.03 0.36 1.48 -1.24 -1.50 118.94 122.17 1quw s TRP 25 Ca 0.33 -1.26 -0.03 0.00 -1.06 0.00 0.00 56.10 54.08 1quw s TRP 25 Cb -0.14 -0.20 -0.02 0.00 -1.16 0.00 0.00 33.47 31.96 1quw s TRP 25 CO 0.14 -0.99 0.04 0.00 -4.06 0.00 0.00 176.95 172.08 1quw s ALA 26 N -3.46 0.04 0.21 2.67 0.00 -1.26 -3.53 121.76 116.43 1quw s ALA 26 Ca 0.32 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1quw s ALA 26 Cb 0.01 0.20 0.17 0.00 0.00 0.00 0.00 23.12 23.51 1quw s ALA 26 CO 0.18 -0.26 1.52 0.00 0.00 0.00 0.00 175.76 177.20 1quw h ALA 27 N 3.99 0.76 -0.02 0.00 0.00 -2.03 -2.80 119.26 119.16 1quw h ALA 27 Ca -0.32 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1quw h ALA 27 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1quw h ALA 27 CO 0.48 0.72 0.00 -2.67 0.00 0.00 0.00 179.25 177.78 1quw n TRP 28 N -3.90 0.02 -2.11 0.00 4.27 -1.26 -4.91 117.44 109.55 1quw n TRP 28 Ca -0.03 -0.01 -0.42 0.00 -3.89 0.00 0.00 57.50 53.16 1quw n TRP 28 Cb 0.62 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.55 1quw n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1quw h GLY 30 N 5.90 -0.27 2.00 0.00 0.00 -1.90 -3.36 103.07 105.43 1quw h GLY 30 Ca -0.44 0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1quw h GLY 30 CO 0.82 -0.10 0.00 -0.56 0.00 0.00 0.00 176.54 176.70 1quw h PRO 31 N -0.89 0.00 0.00 4.80 0.13 -1.93 -1.72 132.00 132.39 1quw h PRO 31 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1quw h PRO 31 Cb 0.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.33 1quw h PRO 31 CO 0.04 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.81 1quw h ARG 33 N 0.00 1.11 -0.44 0.00 9.65 -1.48 -2.49 114.38 120.73 1quw h ARG 33 Ca 0.00 -0.07 -0.10 0.00 -1.10 0.00 0.00 59.98 58.72 1quw h ARG 33 Cb 0.30 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 1quw h ARG 33 CO 0.00 0.73 -0.10 0.52 2.80 0.00 0.00 179.97 183.92 1quw h MET 34 N 1.14 0.85 0.00 0.20 2.86 -1.74 -2.38 114.93 115.85 1quw h MET 34 Ca 0.40 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1quw h MET 34 Cb 0.11 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1quw h MET 34 CO -0.14 0.95 0.00 -1.33 1.06 0.00 0.00 176.91 177.45 1quw n MET 35 N -4.28 0.06 0.03 1.72 2.81 -1.12 -4.18 117.12 112.16 1quw n MET 35 Ca -0.00 0.12 -0.12 0.00 -1.81 0.00 0.00 57.70 55.89 1quw n MET 35 Cb 0.37 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.33 1quw n MET 35 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1quw h ALA 36 N 2.80 -0.53 0.00 3.04 0.00 -0.96 -0.89 119.26 122.72 1quw h ALA 36 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1quw h ALA 36 Cb 0.34 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1quw h ALA 36 CO 0.00 -0.88 -0.65 -1.00 0.00 0.00 0.00 179.25 176.72 1quw h PRO 37 N -0.49 0.00 -0.05 0.00 0.13 -1.77 -3.08 132.00 126.74 1quw h PRO 37 Ca 0.07 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.05 1quw h PRO 37 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1quw h PRO 37 CO -0.34 0.65 -0.66 -0.39 -0.23 0.00 0.00 178.00 177.03 1quw h VAL 38 N 0.00 1.41 -0.31 1.56 -1.51 -1.72 -2.81 116.25 112.87 1quw h VAL 38 Ca -0.01 -2.11 -0.11 0.00 -1.23 0.00 0.00 66.70 63.24 1quw h VAL 38 Cb 1.29 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 32.53 1quw h VAL 38 CO 0.08 0.62 -0.26 -0.07 -1.23 0.00 0.00 177.57 176.71 1quw h LEU 39 N 0.16 0.63 -0.36 4.19 3.38 -1.14 0.62 115.31 122.78 1quw h LEU 39 Ca -0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1quw h LEU 39 Cb 1.18 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1quw h LEU 39 CO 0.10 0.87 0.11 -0.33 0.09 0.00 0.00 178.44 179.28 1quw h GLU 40 N 0.54 0.55 0.00 1.13 4.39 -1.47 -1.84 114.58 117.89 1quw h GLU 40 Ca 0.07 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1quw h GLU 40 Cb 0.73 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1quw h GLU 40 CO 0.06 0.57 -0.15 0.93 -1.16 0.00 0.00 179.01 179.26 1quw h GLU 41 N 0.43 0.00 -0.40 2.33 5.08 -1.34 -3.01 114.58 117.66 1quw h GLU 41 Ca 0.12 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1quw h GLU 41 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1quw h GLU 41 CO -0.00 0.15 -0.05 0.35 -1.00 0.00 0.00 179.01 178.46 1quw h PHE 42 N 0.00 0.82 0.00 4.33 3.57 -0.11 -0.49 116.94 125.06 1quw h PHE 42 Ca -0.00 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.29 1quw h PHE 42 Cb 0.28 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1quw h PHE 42 CO 0.00 0.85 -0.22 0.00 -2.23 0.00 0.00 178.31 176.71 1quw h ALA 43 N 0.86 1.35 0.00 2.41 0.00 -1.23 -2.22 119.26 120.43 1quw h ALA 43 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1quw h ALA 43 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1quw h ALA 43 CO 0.03 0.28 -0.50 0.39 0.00 0.00 0.00 179.25 179.45 1quw n GLU 44 N -3.87 0.02 -0.06 0.00 -0.58 -1.01 -2.59 120.64 112.55 1quw n GLU 44 Ca -0.02 0.01 -0.06 0.00 -0.42 0.00 0.00 57.16 56.67 1quw n GLU 44 Cb 0.31 -1.51 -0.05 0.00 -0.57 0.00 0.00 31.44 29.62 1quw n GLU 44 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1quw h ALA 45 N 2.96 0.02 0.13 0.62 0.00 -0.46 -3.39 119.26 119.13 1quw h ALA 45 Ca 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 1quw h ALA 45 Cb 0.52 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1quw h ALA 45 CO 0.00 0.09 -0.97 0.45 0.00 0.00 0.00 179.25 178.82 1quw h HIS 46 N -1.00 0.48 0.00 0.00 3.86 -1.72 -3.47 115.15 113.31 1quw h HIS 46 Ca -0.02 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 1quw h HIS 46 Cb 0.42 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1quw h HIS 46 CO 0.07 1.38 0.00 0.00 0.86 0.00 0.00 177.93 180.23 1quw n ALA 47 N -2.77 0.00 0.08 2.45 0.00 -1.07 -3.52 120.51 115.68 1quw n ALA 47 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 1quw n ALA 47 Cb 0.83 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.14 1quw n ALA 47 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1quw h ASP 48 N 0.00 0.50 0.15 0.00 3.58 -1.91 -3.33 116.42 115.42 1quw h ASP 48 Ca 0.00 -0.67 -0.06 0.00 0.42 0.00 0.00 57.03 56.72 1quw h ASP 48 Cb 0.00 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 1quw h ASP 48 CO 0.00 1.56 -0.21 0.50 -2.88 0.00 0.00 179.24 178.20 1quw h LYS 49 N 0.09 0.12 -6.62 0.28 1.63 -1.97 -3.44 116.57 106.65 1quw h LYS 49 Ca -0.26 -0.03 -0.66 0.00 -0.85 0.00 0.00 60.65 58.84 1quw h LYS 49 Cb 2.05 -0.01 -0.17 0.00 -0.60 0.00 0.00 32.23 33.50 1quw h LYS 49 CO 0.18 0.33 -0.77 0.54 -3.45 0.00 0.00 179.45 176.28 1quw s VAL 50 N -4.55 3.01 -0.29 2.00 0.11 -1.25 -4.80 120.40 114.62 1quw s VAL 50 Ca -0.04 -1.51 0.02 0.00 -2.93 0.00 0.00 61.98 57.51 1quw s VAL 50 Cb 0.15 -2.42 0.08 0.00 -1.53 0.00 0.00 36.38 32.67 1quw s VAL 50 CO 0.72 0.04 0.00 -0.89 -3.33 0.00 0.00 175.10 171.65 1quw s THR 51 N -1.31 1.80 -0.81 5.04 2.01 -1.26 -4.60 115.64 116.50 1quw s THR 51 Ca 0.20 -1.74 -0.23 0.00 0.31 0.00 0.00 61.69 60.23 1quw s THR 51 Cb -0.10 -2.19 0.07 0.00 0.01 0.00 0.00 72.50 70.29 1quw s THR 51 CO 0.12 -0.38 1.18 -0.69 -0.69 0.00 0.00 174.62 174.16 1quw s VAL 52 N 1.20 4.16 0.32 3.82 1.01 -1.26 -0.56 120.40 129.09 1quw s VAL 52 Ca 0.03 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1quw s VAL 52 Cb -0.19 -4.84 0.05 0.00 0.00 0.00 0.00 36.38 31.39 1quw s VAL 52 CO -0.10 -1.68 0.38 0.00 0.00 0.00 0.00 175.10 173.70 1quw n ALA 53 N 8.17 0.62 -3.66 5.51 0.00 0.51 -2.30 120.51 129.36 1quw n ALA 53 Ca 0.11 -1.20 -0.18 0.00 0.00 0.00 0.00 53.44 52.16 1quw n ALA 53 Cb 0.48 0.39 -0.16 0.00 0.00 0.00 0.00 19.45 20.16 1quw n ALA 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1quw s LYS 54 N -3.41 0.01 -0.15 0.00 -0.14 -0.56 -1.28 119.74 114.21 1quw s LYS 54 Ca 0.29 0.46 0.02 0.00 -1.36 0.00 0.00 55.97 55.37 1quw s LYS 54 Cb -0.02 -0.47 0.02 0.00 -1.68 0.00 0.00 37.83 35.67 1quw s LYS 54 CO 0.18 -0.35 -0.20 -1.17 -0.76 0.00 0.00 175.35 173.05 1quw s LEU 55 N 2.25 2.05 -0.10 3.17 1.98 -1.17 -0.84 118.68 126.03 1quw s LEU 55 Ca 0.04 -0.60 -0.27 0.00 -2.89 0.00 0.00 54.13 50.41 1quw s LEU 55 Cb -0.12 -1.41 -0.02 0.00 0.66 0.00 0.00 46.19 45.29 1quw s LEU 55 CO -0.05 0.03 0.88 0.20 -1.89 0.00 0.00 176.35 175.52 1quw s ASN 56 N 1.08 7.12 0.24 3.68 -0.87 -1.26 -3.61 114.94 121.32 1quw s ASN 56 Ca -0.01 1.37 0.03 0.00 -1.57 0.00 0.00 52.86 52.68 1quw s ASN 56 Cb -0.14 -2.50 0.28 0.00 -0.02 0.00 0.00 41.25 38.87 1quw s ASN 56 CO -0.07 -0.34 1.59 -0.37 -2.57 0.00 0.00 177.10 175.34 1quw h VAL 57 N 5.02 1.35 -0.29 1.60 -1.51 -1.81 -1.25 116.25 119.36 1quw h VAL 57 Ca -0.34 -1.81 -0.11 0.00 -1.23 0.00 0.00 66.70 63.21 1quw h VAL 57 Cb 1.16 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 32.17 1quw h VAL 57 CO 0.81 0.54 -0.26 -0.78 -1.23 0.00 0.00 177.57 176.65 1quw h ASP 58 N 0.24 0.58 0.00 4.19 1.82 -1.92 -3.33 116.42 118.01 1quw h ASP 58 Ca 0.00 -0.21 -0.09 0.00 -0.39 0.00 0.00 57.03 56.35 1quw h ASP 58 Cb 1.02 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.86 1quw h ASP 58 CO 0.09 0.83 -0.50 -0.08 -1.61 0.00 0.00 179.24 177.97 1quw h GLU 59 N 0.50 0.00 -4.78 0.28 4.57 -1.94 -3.45 114.58 109.76 1quw h GLU 59 Ca 0.07 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.58 1quw h GLU 59 Cb 0.72 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.10 1quw h GLU 59 CO 0.06 0.84 -0.53 -0.80 -1.18 0.00 0.00 179.01 177.40 1quw s ASN 60 N -6.36 5.76 -0.00 1.04 0.01 -0.48 -4.96 114.94 109.94 1quw s ASN 60 Ca -0.21 -0.40 0.20 0.00 -0.71 0.00 0.00 52.86 51.74 1quw s ASN 60 Cb 0.01 -2.06 -0.23 0.00 0.41 0.00 0.00 41.25 39.38 1quw s ASN 60 CO 0.56 -0.18 0.78 -0.81 -1.51 0.00 0.00 177.10 175.94 1quw n PRO 61 N 5.03 0.54 0.11 -0.60 -0.04 -1.26 -4.44 135.00 134.34 1quw n PRO 61 Ca -0.14 -0.03 -0.24 0.00 -0.04 0.00 0.00 63.50 63.06 1quw n PRO 61 Cb 0.50 -1.43 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 1quw n PRO 61 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1quw h GLU 62 N 0.00 0.47 0.13 0.54 4.11 -1.95 -3.18 114.58 114.70 1quw h GLU 62 Ca 0.00 -0.81 -0.28 0.00 0.07 0.00 0.00 59.36 58.34 1quw h GLU 62 Cb 0.53 0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1quw h GLU 62 CO 0.00 1.39 -1.28 0.00 0.07 0.00 0.00 179.01 179.19 1quw h THR 63 N 0.10 1.46 0.00 -1.06 1.03 -1.96 -2.98 112.91 109.50 1quw h THR 63 Ca -0.29 -3.03 -0.08 0.00 -0.01 0.00 0.00 66.41 63.00 1quw h THR 63 Cb 2.12 2.92 -0.01 0.00 -1.07 0.00 0.00 68.15 72.11 1quw h THR 63 CO 0.23 0.88 -0.36 0.00 -0.01 0.00 0.00 175.52 176.26 1quw h THR 64 N 0.07 1.19 0.07 0.00 1.03 -1.78 -2.64 112.91 110.85 1quw h THR 64 Ca -0.15 -1.26 -0.26 0.00 -0.01 0.00 0.00 66.41 64.73 1quw h THR 64 Cb 1.98 1.69 -0.01 0.00 -1.07 0.00 0.00 68.15 70.74 1quw h THR 64 CO 0.20 0.35 -1.24 -1.28 -0.01 0.00 0.00 175.52 173.54 1quw h SER 65 N 0.00 0.23 -0.40 0.00 0.87 -1.61 -1.76 113.55 110.88 1quw h SER 65 Ca -0.00 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 1quw h SER 65 Cb 0.67 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1quw h SER 65 CO 0.05 1.22 0.21 -0.61 -0.53 0.00 0.00 176.83 177.17 1quw h GLN 66 N 0.04 0.56 0.07 2.24 4.15 -1.35 -3.12 115.11 117.71 1quw h GLN 66 Ca -0.12 -0.07 -0.27 0.00 0.77 0.00 0.00 58.65 58.96 1quw h GLN 66 Cb 1.91 -0.11 0.02 0.00 0.21 0.00 0.00 27.48 29.51 1quw h GLN 66 CO 0.16 0.46 -1.14 0.74 -1.93 0.00 0.00 178.83 177.13 1quw h PHE 67 N 0.51 0.84 -0.35 3.99 0.04 -1.57 -3.49 116.94 116.91 1quw h PHE 67 Ca 0.14 -0.51 0.00 0.00 2.80 0.00 0.00 57.97 60.40 1quw h PHE 67 Cb 0.07 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1quw h PHE 67 CO -0.02 1.36 0.00 0.41 -0.60 0.00 0.00 178.31 179.45 1quw n GLY 68 N 1.24 0.67 3.45 -1.45 0.00 -0.73 -5.04 105.19 103.34 1quw n GLY 68 Ca -0.11 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 44.81 1quw n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1quw s ILE 69 N -1.90 4.80 -0.15 -0.61 -1.09 -0.80 -4.88 121.20 116.57 1quw s ILE 69 Ca 0.00 -0.44 0.22 0.00 -2.23 0.00 0.00 60.65 58.20 1quw s ILE 69 Cb 0.00 -4.35 -0.15 0.00 -1.58 0.00 0.00 42.46 36.38 1quw s ILE 69 CO 0.00 -0.88 0.78 0.23 -1.23 0.00 0.00 174.94 173.84 1quw n MET 70 N 6.37 0.63 -3.45 2.79 2.81 -1.26 -4.90 117.12 120.11 1quw n MET 70 Ca -0.06 0.01 -0.08 0.00 -1.81 0.00 0.00 57.70 55.77 1quw n MET 70 Cb 0.45 -1.70 -0.08 0.00 -0.71 0.00 0.00 33.22 31.18 1quw n MET 70 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1quw s SER 71 N -5.11 -0.05 0.30 7.83 0.01 -1.26 -5.14 113.70 110.27 1quw s SER 71 Ca -0.04 0.56 -0.15 0.00 1.31 0.00 0.00 55.95 57.63 1quw s SER 71 Cb 0.11 1.27 -0.09 0.00 0.21 0.00 0.00 66.02 67.53 1quw s SER 71 CO 0.84 -0.27 0.72 0.27 0.41 0.00 0.00 173.24 175.21 1quw s ILE 72 N 2.59 4.68 0.48 1.44 -5.25 -1.26 -4.17 121.20 119.71 1quw s ILE 72 Ca 0.08 0.97 -0.14 0.00 -0.99 0.00 0.00 60.65 60.57 1quw s ILE 72 Cb -0.14 -3.65 -0.07 0.00 2.95 0.00 0.00 42.46 41.55 1quw s ILE 72 CO -0.15 -0.11 0.92 -2.16 -1.79 0.00 0.00 174.94 171.65 1quw s PRO 73 N -2.80 3.88 -0.08 0.37 0.04 -1.26 -4.85 135.00 130.29 1quw s PRO 73 Ca 0.52 0.79 -0.03 0.00 0.04 0.00 0.00 61.00 62.31 1quw s PRO 73 Cb -0.11 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 32.25 1quw s PRO 73 CO 0.18 -0.21 0.13 0.99 0.04 0.00 0.00 177.00 178.13 1quw s THR 74 N -2.57 -0.21 -0.18 1.26 2.01 -0.57 -2.70 115.64 112.69 1quw s THR 74 Ca 0.56 0.34 -0.10 0.00 0.31 0.00 0.00 61.69 62.80 1quw s THR 74 Cb -0.10 -0.27 -0.05 0.00 0.01 0.00 0.00 72.50 72.09 1quw s THR 74 CO 0.32 0.13 0.15 -0.76 -0.69 0.00 0.00 174.62 173.78 1quw s LEU 75 N 2.25 4.24 -0.02 4.42 2.01 -1.12 -0.14 118.68 130.31 1quw s LEU 75 Ca 0.04 0.30 -0.00 0.00 0.01 0.00 0.00 54.13 54.48 1quw s LEU 75 Cb -0.12 -2.13 0.03 0.00 0.01 0.00 0.00 46.19 43.98 1quw s LEU 75 CO -0.05 0.20 0.03 -0.63 1.01 0.00 0.00 176.35 176.91 1quw s ILE 76 N 0.18 -0.03 -0.04 -0.59 1.01 -0.53 -2.81 121.20 118.39 1quw s ILE 76 Ca 0.10 0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.85 1quw s ILE 76 Cb -0.11 -0.11 -0.05 0.00 0.01 0.00 0.00 42.46 42.19 1quw s ILE 76 CO -0.00 0.11 0.33 -0.22 0.00 0.00 0.00 174.94 175.15 1quw s LEU 77 N 1.17 4.44 -0.05 2.97 0.20 -1.19 -0.75 118.68 125.48 1quw s LEU 77 Ca -0.08 0.81 0.06 0.00 0.69 0.00 0.00 54.13 55.61 1quw s LEU 77 Cb -0.13 -2.43 -0.02 0.00 -0.43 0.00 0.00 46.19 43.18 1quw s LEU 77 CO -0.03 0.34 -0.21 -0.36 -0.29 0.00 0.00 176.35 175.80 1quw s PHE 78 N -0.99 2.51 0.00 5.38 0.40 0.07 0.13 117.98 125.47 1quw s PHE 78 Ca 0.21 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1quw s PHE 78 Cb -0.15 -1.60 0.00 0.00 0.51 0.00 0.00 43.02 41.78 1quw s PHE 78 CO 0.10 -0.04 0.00 1.17 0.70 0.00 0.00 175.22 177.15 1quw n LYS 79 N 2.65 0.00 -3.01 0.44 4.81 -1.09 -0.05 118.16 121.92 1quw n LYS 79 Ca -0.17 0.09 -0.21 0.00 -0.87 0.00 0.00 58.31 57.14 1quw n LYS 79 Cb 0.52 -0.42 -0.03 0.00 0.02 0.00 0.00 35.03 35.12 1quw n LYS 79 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1quw n GLY 80 N 2.11 4.39 0.84 3.14 0.00 -1.26 -4.24 105.19 110.16 1quw n GLY 80 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1quw n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1quw n GLY 81 N -0.00 0.92 3.56 -0.02 0.00 -1.17 -4.70 105.19 103.77 1quw n GLY 81 Ca 0.27 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 1quw n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1quw s ARG 82 N -2.79 0.30 -0.04 1.61 3.00 -1.26 -5.03 118.95 114.74 1quw s ARG 82 Ca 0.00 0.59 -0.30 0.00 -1.00 0.00 0.00 55.73 55.02 1quw s ARG 82 Cb 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 34.95 35.09 1quw s ARG 82 CO 0.00 -0.08 1.17 -1.25 0.00 0.00 0.00 175.30 175.15 1quw s PRO 83 N 1.66 4.38 -0.03 5.12 0.04 -1.26 -2.65 135.00 142.25 1quw s PRO 83 Ca -0.07 1.65 -0.03 0.00 0.04 0.00 0.00 61.00 62.59 1quw s PRO 83 Cb -0.04 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 1quw s PRO 83 CO -0.15 -0.40 0.25 0.28 0.04 0.00 0.00 177.00 177.02 1quw h VAL 84 N 4.95 0.00 -3.50 -0.36 2.07 0.66 -3.49 116.25 116.59 1quw h VAL 84 Ca -0.35 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 66.71 1quw h VAL 84 Cb 1.17 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.76 1quw h VAL 84 CO 0.86 0.00 -0.37 -0.54 0.02 0.00 0.00 177.57 177.54 1quw s LYS 85 N -1.86 0.69 -0.13 1.57 1.02 -1.25 -5.00 119.74 114.78 1quw s LYS 85 Ca -0.02 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1quw s LYS 85 Cb 0.00 0.29 0.02 0.00 -0.52 0.00 0.00 37.83 37.62 1quw s LYS 85 CO 0.05 -0.20 -0.13 -1.14 -0.92 0.00 0.00 175.35 173.01 1quw s GLN 86 N -2.42 2.08 -0.01 1.68 0.74 -1.26 -3.16 119.66 117.31 1quw s GLN 86 Ca -0.06 -0.48 0.02 0.00 0.05 0.00 0.00 55.36 54.89 1quw s GLN 86 Cb -0.02 -1.92 -0.00 0.00 1.10 0.00 0.00 33.01 32.17 1quw s GLN 86 CO -0.03 -0.20 -0.06 -0.48 -0.55 0.00 0.00 175.29 173.97 1quw s LEU 87 N 1.41 1.96 0.32 3.68 -0.00 -1.12 -5.05 118.68 119.87 1quw s LEU 87 Ca 0.02 -0.12 0.03 0.00 -0.00 0.00 0.00 54.13 54.06 1quw s LEU 87 Cb -0.13 -0.34 -0.04 0.00 -0.00 0.00 0.00 46.19 45.67 1quw s LEU 87 CO -0.08 0.07 0.13 0.27 -0.00 0.00 0.00 176.35 176.75 1quw s ILE 88 N -0.07 0.50 0.00 1.48 -0.00 -1.26 -2.81 121.20 119.04 1quw s ILE 88 Ca 0.01 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.66 1quw s ILE 88 Cb -0.03 -2.53 0.00 0.00 -0.00 0.00 0.00 42.46 39.89 1quw s ILE 88 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.55 1quw n GLY 89 N -0.64 -1.82 3.64 6.27 0.00 -1.10 -4.76 105.19 106.78 1quw n GLY 89 Ca -0.01 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 1quw n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1quw s TYR 90 N 0.00 3.33 -0.10 1.61 5.04 -1.26 -4.83 117.35 121.14 1quw s TYR 90 Ca 0.00 0.82 0.02 0.00 -2.44 0.00 0.00 57.07 55.47 1quw s TYR 90 Cb 0.00 -2.78 0.01 0.00 0.35 0.00 0.00 41.96 39.54 1quw s TYR 90 CO 0.00 -0.23 -0.16 1.14 -1.34 0.00 0.00 175.55 174.96 1quw s GLN 91 N 2.13 2.20 1.14 4.97 0.00 -1.26 -5.11 119.66 123.73 1quw s GLN 91 Ca 0.26 -0.56 -0.18 0.00 -0.00 0.00 0.00 55.36 54.87 1quw s GLN 91 Cb -0.16 -1.83 0.16 0.00 0.00 0.00 0.00 33.01 31.18 1quw s GLN 91 CO 0.09 -0.02 0.20 -2.30 0.00 0.00 0.00 175.29 173.26 1quw n PRO 92 N 4.05 -2.06 -0.35 9.60 -0.02 -1.26 -4.34 135.00 140.61 1quw n PRO 92 Ca -0.20 -0.59 0.06 0.00 -2.02 0.00 0.00 63.50 60.75 1quw n PRO 92 Cb 0.52 -1.72 0.22 0.00 -0.02 0.00 0.00 33.50 32.49 1quw n PRO 92 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1quw h LYS 93 N -2.35 0.95 0.01 -0.52 3.64 -1.98 0.24 116.57 116.57 1quw h LYS 93 Ca -0.50 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 58.58 1quw h LYS 93 Cb 1.27 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1quw h LYS 93 CO 0.35 0.63 -1.00 0.93 -2.27 0.00 0.00 179.45 178.09 1quw h GLU 94 N 0.97 0.51 -0.40 1.90 4.39 -1.99 0.30 114.58 120.26 1quw h GLU 94 Ca 0.47 -0.56 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 1quw h GLU 94 Cb 0.44 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1quw h GLU 94 CO -0.26 1.19 0.02 1.96 -1.16 0.00 0.00 179.01 180.77 1quw h GLN 95 N 0.28 0.70 -0.14 2.33 7.50 -1.81 -2.50 115.11 121.46 1quw h GLN 95 Ca -0.10 -0.21 -0.02 0.00 0.50 0.00 0.00 58.65 58.82 1quw h GLN 95 Cb 1.65 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 29.10 1quw h GLN 95 CO 0.18 0.77 0.01 1.25 -1.50 0.00 0.00 178.83 179.55 1quw h LEU 96 N 0.53 0.23 -1.07 1.46 5.85 -0.44 -2.52 115.31 119.37 1quw h LEU 96 Ca 0.12 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1quw h LEU 96 Cb 0.44 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1quw h LEU 96 CO 0.02 0.46 0.43 -0.33 -0.34 0.00 0.00 178.44 178.68 1quw h GLU 97 N -0.00 1.08 -0.77 1.25 5.08 -0.44 -1.73 114.58 119.05 1quw h GLU 97 Ca 0.04 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1quw h GLU 97 Cb 0.33 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1quw h GLU 97 CO 0.01 0.79 0.50 0.00 -1.00 0.00 0.00 179.01 179.30 1quw h ALA 98 N 1.39 0.99 -0.31 3.43 0.00 -1.34 -0.47 119.26 122.95 1quw h ALA 98 Ca 0.28 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 1quw h ALA 98 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1quw h ALA 98 CO -0.04 0.35 -0.38 1.96 0.00 0.00 0.00 179.25 181.13 1quw h GLN 99 N 1.01 0.72 -0.04 0.00 1.08 -0.96 -3.13 115.11 113.78 1quw h GLN 99 Ca 0.29 -0.36 -0.21 0.00 -1.45 0.00 0.00 58.65 56.91 1quw h GLN 99 Cb -0.07 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1quw h GLN 99 CO -0.08 0.98 -0.86 -0.07 -0.95 0.00 0.00 178.83 177.85 1quw h LEU 100 N 0.59 0.59 -1.82 1.46 -0.00 -1.12 -3.24 115.31 111.78 1quw h LEU 100 Ca 0.05 -0.44 0.08 0.00 -0.00 0.00 0.00 57.88 57.58 1quw h LEU 100 Cb 0.92 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.38 1quw h LEU 100 CO 0.08 1.21 0.28 0.00 -0.00 0.00 0.00 178.44 180.02 1quw h ALA 101 N 0.76 2.11 -0.08 1.53 0.00 -1.03 -0.35 119.26 122.19 1quw h ALA 101 Ca -0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1quw h ALA 101 Cb 1.48 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.23 1quw h ALA 101 CO 0.15 -0.20 -0.84 0.22 0.00 0.00 0.00 179.25 178.58 1quw h ASP 102 N 0.22 0.77 1.36 0.00 1.82 -1.57 -3.19 116.42 115.83 1quw h ASP 102 Ca 0.19 -0.54 -0.10 0.00 -0.39 0.00 0.00 57.03 56.19 1quw h ASP 102 Cb 0.47 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 1quw h ASP 102 CO -0.03 1.33 -0.48 -0.37 -1.61 0.00 0.00 179.24 178.08 1quw h VAL 103 N 0.41 0.86 0.00 2.25 -1.51 -1.49 -3.33 116.25 113.44 1quw h VAL 103 Ca -0.07 -2.08 -0.09 0.00 -1.23 0.00 0.00 66.70 63.24 1quw h VAL 103 Cb 1.46 2.33 -0.01 0.00 -2.13 0.00 0.00 31.29 32.94 1quw h VAL 103 CO 0.16 0.47 -0.43 -0.07 -1.23 0.00 0.00 177.57 176.47 1quw h LEU 104 N 0.00 0.00 0.00 4.19 3.38 -1.07 -3.49 115.31 118.32 1quw h LEU 104 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1quw h LEU 104 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1quw h LEU 104 CO 0.06 0.43 0.00 0.00 0.09 0.00 0.00 178.44 179.02